tert-butyl 5-nitro-1-benzofuran-2-carboxylate

Systemtic Name: tert-butyl 5-nitro-1-benzofuran-2-carboxylate Openeye Name: tert-butyl 5-nitrobenzofuran-2-carboxylate CAS Name: 5-nitro-2-benzofurancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitro-1-benzofuran-2-carboxylate Traditional Name: 5-nitrocoumarilic acid tert-butyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO5/c1-13(2,3)19-12(15)11-7-8-6-9(14(16)17)4-5-10(8)18-11/h4-7H,1-3H3